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((3S*,4S*,5R*)-1-Butyl-4-methoxy-3-methyl-5-allylpiperidin-3-yl)methyl 2-(3-methyl-2,5-dioxo-2,5-dihydroxy-1H-pyrrol-1-yl)benzoate

View entire compound with spectra: 1 MS (GC)

((3S*,4S*,5R*)-1-Butyl-4-methoxy-3-methyl-5-allylpiperidin-3-yl)methyl 2-(3-methyl-2,5-dioxo-2,5-dihydroxy-1H-pyrrol-1-yl)benzoate
SpectraBase Compound ID 7mUYLNttjV6
InChI InChI=1S/C27H36N2O5/c1-6-8-14-28-16-20(11-7-2)24(33-5)27(4,17-28)18-34-26(32)21-12-9-10-13-22(21)29-23(30)15-19(3)25(29)31/h7,9-10,12-13,15,20,24H,2,6,8,11,14,16-18H2,1,3-5H3/t20-,24-,27+/m0/s1
InChIKey AOZIYZXXHWKTQC-IUGBQFMMSA-N
Mol Weight 468.6 g/mol
Molecular Formula C27H36N2O5
Exact Mass 468.262422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1mrRE5HvgK5
Name ((3S*,4S*,5R*)-1-Butyl-4-methoxy-3-methyl-5-allylpiperidin-3-yl)methyl 2-(3-methyl-2,5-dioxo-2,5-dihydroxy-1H-pyrrol-1-yl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36N2O5
InChI InChI=1S/C27H36N2O5/c1-6-8-14-28-16-20(11-7-2)24(33-5)27(4,17-28)18-34-26(32)21-12-9-10-13-22(21)29-23(30)15-19(3)25(29)31/h7,9-10,12-13,15,20,24H,2,6,8,11,14,16-18H2,1,3-5H3/t20-,24-,27+/m0/s1
InChIKey AOZIYZXXHWKTQC-IUGBQFMMSA-N
Molecular Weight 468.594 g/mol
SMILES C1(N(C(C(=C1)C)=O)c1c(C(OC[C@@]2([C@]([C@](CN(C2)CCCC)(CC=C)[H])(OC)[H])C)=O)cccc1)=O
SPLASH splash10-03di-0090300000-2024d3818f8ba2b4c8cf
Source of Spectrum F-66-7189-9e
Synonyms 2-(3-Methyl-2,5-dioxo-2,5-dihydro-pyrrol-1-yl)-benzoic acid(3R,4S,5S)-5-allyl-1-butyl-4-methoxy-3-methyl-piperidin-3-ylmethyl ester
Wiley ID 1712985